CID 3726523

3-bromo-5-chloro-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4BrClO2
SMILES
C1=C(C=C(C(=C1Cl)O)Br)C=O
InChI
InChI=1S/C7H4BrClO2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey
ITSXSHQWMYYQQY-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

233.90833 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.91561 136.4
[M+Na]+ 256.89755 141.6
[M+NH4]+ 251.94215 141.6
[M+K]+ 272.87149 141.1
[M-H]- 232.90105 136.8
[M+Na-2H]- 254.88300 140.2
[M]+ 233.90778 136.4
[M]- 233.90888 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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